ethyl 2-indazol-1-ylacetate

C11H12N2O2 — CID 62140546

IUPACethyl 2-indazol-1-ylacetate
SMILESCCOC(=O)Cn1ncc2ccccc21
InChIInChI=1S/C11H12N2O2/c1-2-15-11(14)8-13-10-6-4-3-5-9(10)7-12-13/h3-7H,2,8H2,1H3
InChIKeyCWBPDAREDFJTOB-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.60
Rot. Bonds3

About ethyl 2-indazol-1-ylacetate

ethyl 2-indazol-1-ylacetate (PubChem CID 62140546) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is ethyl 2-indazol-1-ylacetate.

Molecular Properties

Compound Nameethyl 2-indazol-1-ylacetate
PubChem CID62140546
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Nameethyl 2-indazol-1-ylacetate
SMILESCCOC(=O)Cn1ncc2ccccc21
InChIInChI=1S/C11H12N2O2/c1-2-15-11(14)8-13-10-6-4-3-5-9(10)7-12-13/h3-7H,2,8H2,1H3
InChIKeyCWBPDAREDFJTOB-UHFFFAOYSA-N
XLogP1.60
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-indazol-1-ylacetate?
The IUPAC name of ethyl 2-indazol-1-ylacetate (CID 62140546) is ethyl 2-indazol-1-ylacetate.
What is the SMILES notation for ethyl 2-indazol-1-ylacetate?
The canonical SMILES for ethyl 2-indazol-1-ylacetate is CCOC(=O)Cn1ncc2ccccc21.
What is the InChIKey of ethyl 2-indazol-1-ylacetate?
The InChIKey is CWBPDAREDFJTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-2-15-11(14)8-13-10-6-4-3-5-9(10)7-12-13/h3-7H,2,8H2,1H3.
What are the key properties of ethyl 2-indazol-1-ylacetate?
ethyl 2-indazol-1-ylacetate has a molecular weight of 204.23 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-indazol-1-ylacetate is sourced from PubChem (CID 62140546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).